N-[4-(N'-ethylcarbamimidoyl)phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide

Systemtic Name: N-[4-(N'-ethylcarbamimidoyl)phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: N-[4-(N'-ethylcarbamimidoyl)phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: N-[4-[amino(ethylimino)methyl]phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: N-[4-(N'-ethylcarbamimidoyl)phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: N-[4-(N'-ethylamidino)phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C27H27N3O2 MolecularWeight: 425.52218

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C(C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)C4=CC=C(C=C4)C)OCC2)N

Isomeric SMILES

CCN=C(C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)C4=CC=C(C=C4)C)OCC2)N

InChI

InChI=1S/C27H27N3O2/c1-3-29-26(28)20-8-11-24(12-9-20)30-27(31)22-14-15-32-25-13-10-21(16-23(25)17-22)19-6-4-18(2)5-7-19/h4-13,16-17H,3,14-15H2,1-2H3,(H2,28,29)(H,30,31)