N-[2-[[4-(aminomethyl)-4-phenyl-cyclohexyl]-methyl-amino]-2-oxidanylidene-ethyl]-1-azanyl-isoquinoline-7-carboxamide

Systemtic Name: N-[2-[[4-(aminomethyl)-4-phenyl-cyclohexyl]-methyl-amino]-2-oxidanylidene-ethyl]-1-azanyl-isoquinoline-7-carboxamide Openeye Name: 1-amino-N-[2-[[4-(aminomethyl)-4-phenyl-cyclohexyl]-methyl-amino]-2-oxo-ethyl]isoquinoline-7-carboxamide CAS Name: 1-amino-N-[2-[[4-(aminomethyl)-4-phenylcyclohexyl]-methylamino]-2-oxoethyl]-7-isoquinolinecarboxamide IUPAC Name: 1-amino-N-[2-[[4-(aminomethyl)-4-phenylcyclohexyl]-methylamino]-2-oxoethyl]isoquinoline-7-carboxamide Traditional Name: 1-amino-N-[2-[[4-(aminomethyl)-4-phenyl-cyclohexyl]-methyl-amino]-2-keto-ethyl]isoquinoline-7-carboxamide Formula: C26H31N5O2 MolecularWeight: 445.55664

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC(CC1)(CN)C2=CC=CC=C2)C(=O)CNC(=O)C3=CC4=C(C=C3)C=CN=C4N

Isomeric SMILES

CN(C1CCC(CC1)(CN)C2=CC=CC=C2)C(=O)CNC(=O)C3=CC4=C(C=C3)C=CN=C4N

InChI

InChI=1S/C26H31N5O2/c1-31(21-9-12-26(17-27,13-10-21)20-5-3-2-4-6-20)23(32)16-30-25(33)19-8-7-18-11-14-29-24(28)22(18)15-19/h2-8,11,14-15,21H,9-10,12-13,16-17,27H2,1H3,(H2,28,29)(H,30,33)