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

Systemtic Name: 2-(2-fluorophenyl)-1-oxidanylidene-N-[(1S)-1-phenylpropyl]-3-[(4-propan-2-ylpiperazin-1-yl)methyl]isoquinoline-4-carboxamide Openeye Name: 2-(2-fluorophenyl)-3-[(4-isopropylpiperazin-1-yl)methyl]-1-oxo-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide CAS Name: 2-(2-fluorophenyl)-1-oxo-N-[(1S)-1-phenylpropyl]-3-[(4-propan-2-yl-1-piperazinyl)methyl]-4-isoquinolinecarboxamide IUPAC Name: 2-(2-fluorophenyl)-1-oxo-N-[(1S)-1-phenylpropyl]-3-[(4-propan-2-ylpiperazin-1-yl)methyl]isoquinoline-4-carboxamide Traditional Name: 2-(2-fluorophenyl)-3-[(4-isopropylpiperazino)methyl]-1-keto-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Formula: C33H37FN4O2 MolecularWeight: 540.670883

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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=C4F)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=C4F)CN5CCN(CC5)C(C)C

InChI

InChI=1S/C33H37FN4O2/c1-4-28(24-12-6-5-7-13-24)35-32(39)31-25-14-8-9-15-26(25)33(40)38(29-17-11-10-16-27(29)34)30(31)22-36-18-20-37(21-19-36)23(2)3/h5-17,23,28H,4,18-22H2,1-3H3,(H,35,39)/t28-/m0/s1