3-[1-(3,4-dimethoxyphenyl)ethylamino]-4-phenyl-5-propyl-isoquinoline-1-carboxamide

Systemtic Name: 3-[1-(3,4-dimethoxyphenyl)ethylamino]-4-phenyl-5-propyl-isoquinoline-1-carboxamide Openeye Name: 3-[1-(3,4-dimethoxyphenyl)ethylamino]-4-phenyl-5-propyl-isoquinoline-1-carboxamide CAS Name: 3-[1-(3,4-dimethoxyphenyl)ethylamino]-4-phenyl-5-propyl-1-isoquinolinecarboxamide IUPAC Name: 3-[1-(3,4-dimethoxyphenyl)ethylamino]-4-phenyl-5-propylisoquinoline-1-carboxamide Traditional Name: 3-[1-(3,4-dimethoxyphenyl)ethylamino]-4-phenyl-5-propyl-isoquinoline-1-carboxamide Formula: C29H31N3O3 MolecularWeight: 469.57474

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC2=C1C(=C(N=C2C(=O)N)NC(C)C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4

Isomeric SMILES

CCCC1=CC=CC2=C1C(=C(N=C2C(=O)N)NC(C)C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4

InChI

InChI=1S/C29H31N3O3/c1-5-10-19-13-9-14-22-25(19)26(20-11-7-6-8-12-20)29(32-27(22)28(30)33)31-18(2)21-15-16-23(34-3)24(17-21)35-4/h6-9,11-18H,5,10H2,1-4H3,(H2,30,33)(H,31,32)