N-[3-[ethyl-(3-methylphenyl)amino]propyl]-1-[(2-methoxyphenyl)amino]isoquinoline-4-carboxamide

Systemtic Name: N-[3-[ethyl-(3-methylphenyl)amino]propyl]-1-[(2-methoxyphenyl)amino]isoquinoline-4-carboxamide Openeye Name: N-[3-(N-ethyl-3-methyl-anilino)propyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide CAS Name: N-[3-(N-ethyl-3-methylanilino)propyl]-1-(2-methoxyanilino)-4-isoquinolinecarboxamide IUPAC Name: N-[3-(N-ethyl-3-methylanilino)propyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide Traditional Name: N-[3-(N-ethyl-3-methyl-anilino)propyl]-1-(o-anisidino)isoquinoline-4-carboxamide Formula: C29H32N4O2 MolecularWeight: 468.58998

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCNC(=O)C1=CN=C(C2=CC=CC=C21)NC3=CC=CC=C3OC)C4=CC=CC(=C4)C

Isomeric SMILES

CCN(CCCNC(=O)C1=CN=C(C2=CC=CC=C21)NC3=CC=CC=C3OC)C4=CC=CC(=C4)C

InChI

InChI=1S/C29H32N4O2/c1-4-33(22-12-9-11-21(2)19-22)18-10-17-30-29(34)25-20-31-28(24-14-6-5-13-23(24)25)32-26-15-7-8-16-27(26)35-3/h5-9,11-16,19-20H,4,10,17-18H2,1-3H3,(H,30,34)(H,31,32)