N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-1-ylcarbonyl-phenyl]-4-ethyl-benzamide

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-1-ylcarbonyl-phenyl]-4-ethyl-benzamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-4-ethyl-benzamide CAS Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[oxo(1-pyrrolidinyl)methyl]phenyl]-4-ethylbenzamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-4-ethylbenzamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-4-ethyl-benzamide Formula: C29H31N3O2 MolecularWeight: 453.57534

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)N5CCCC5

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)N5CCCC5

InChI

InChI=1S/C29H31N3O2/c1-2-21-9-11-23(12-10-21)28(33)30-25-13-14-27(26(19-25)29(34)31-16-5-6-17-31)32-18-15-22-7-3-4-8-24(22)20-32/h3-4,7-14,19H,2,5-6,15-18,20H2,1H3,(H,30,33)