7-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-N-methylsulfinyl-N-phenyl-2-(1-prop-2-enylimidazol-2-yl)-2,3-dihydro-1-benzazepine-4-carboxamide

Systemtic Name: 7-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-N-methylsulfinyl-N-phenyl-2-(1-prop-2-enylimidazol-2-yl)-2,3-dihydro-1-benzazepine-4-carboxamide Openeye Name: 2-(1-allylimidazol-2-yl)-7-[4-(2-butoxyethoxy)phenyl]-1-isobutyl-N-methylsulfinyl-N-phenyl-2,3-dihydro-1-benzazepine-4-carboxamide CAS Name: 7-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-N-methylsulfinyl-N-phenyl-2-(1-prop-2-enyl-2-imidazolyl)-2,3-dihydro-1-benzazepine-4-carboxamide IUPAC Name: 7-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-N-methylsulfinyl-N-phenyl-2-(1-prop-2-enylimidazol-2-yl)-2,3-dihydro-1-benzazepine-4-carboxamide Traditional Name: 2-(1-allylimidazol-2-yl)-7-[4-(2-butoxyethoxy)phenyl]-1-isobutyl-N-methylsulfinyl-N-phenyl-2,3-dihydro-1-benzazepine-4-carboxamide Formula: C40H48N4O4S MolecularWeight: 680.89852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(C(CC(=C3)C(=O)N(C4=CC=CC=C4)S(=O)C)C5=NC=CN5CC=C)CC(C)C

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(C(CC(=C3)C(=O)N(C4=CC=CC=C4)S(=O)C)C5=NC=CN5CC=C)CC(C)C

InChI

InChI=1S/C40H48N4O4S/c1-6-8-23-47-24-25-48-36-17-14-31(15-18-36)32-16-19-37-33(26-32)27-34(40(45)44(49(5)46)35-12-10-9-11-13-35)28-38(43(37)29-30(3)4)39-41-20-22-42(39)21-7-2/h7,9-20,22,26-27,30,38H,2,6,8,21,23-25,28-29H2,1,3-5H3