1-oxidanylidene-2-phenyl-N-[(1S)-1-phenylpropyl]-3-[(4-propan-2-ylpiperazin-1-yl)methyl]isoquinoline-4-carboxamide

Systemtic Name: 1-oxidanylidene-2-phenyl-N-[(1S)-1-phenylpropyl]-3-[(4-propan-2-ylpiperazin-1-yl)methyl]isoquinoline-4-carboxamide Openeye Name: 3-[(4-isopropylpiperazin-1-yl)methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide CAS Name: 1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]-3-[(4-propan-2-yl-1-piperazinyl)methyl]-4-isoquinolinecarboxamide IUPAC Name: 1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]-3-[(4-propan-2-ylpiperazin-1-yl)methyl]isoquinoline-4-carboxamide Traditional Name: 3-[(4-isopropylpiperazino)methyl]-1-keto-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Formula: C33H38N4O2 MolecularWeight: 522.68042

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(CC5)C(C)C

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(CC5)C(C)C

InChI

InChI=1S/C33H38N4O2/c1-4-29(25-13-7-5-8-14-25)34-32(38)31-27-17-11-12-18-28(27)33(39)37(26-15-9-6-10-16-26)30(31)23-35-19-21-36(22-20-35)24(2)3/h5-18,24,29H,4,19-23H2,1-3H3,(H,34,38)/t29-/m0/s1