1-azanyl-N-[2-[[2-(4-azanylphenoxy)-4-phenyl-cyclopentyl]amino]-2-oxidanylidene-ethyl]isoquinoline-7-carboxamide

Systemtic Name: 1-azanyl-N-[2-[[2-(4-azanylphenoxy)-4-phenyl-cyclopentyl]amino]-2-oxidanylidene-ethyl]isoquinoline-7-carboxamide Openeye Name: 1-amino-N-[2-[[2-(4-aminophenoxy)-4-phenyl-cyclopentyl]amino]-2-oxo-ethyl]isoquinoline-7-carboxamide CAS Name: 1-amino-N-[2-[[2-(4-aminophenoxy)-4-phenylcyclopentyl]amino]-2-oxoethyl]-7-isoquinolinecarboxamide IUPAC Name: 1-amino-N-[2-[[2-(4-aminophenoxy)-4-phenylcyclopentyl]amino]-2-oxoethyl]isoquinoline-7-carboxamide Traditional Name: 1-amino-N-[2-[[2-(4-aminophenoxy)-4-phenyl-cyclopentyl]amino]-2-keto-ethyl]isoquinoline-7-carboxamide Formula: C29H29N5O3 MolecularWeight: 495.57226

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(C1NC(=O)CNC(=O)C2=CC3=C(C=C2)C=CN=C3N)OC4=CC=C(C=C4)N)C5=CC=CC=C5

Isomeric SMILES

C1C(CC(C1NC(=O)CNC(=O)C2=CC3=C(C=C2)C=CN=C3N)OC4=CC=C(C=C4)N)C5=CC=CC=C5

InChI

InChI=1S/C29H29N5O3/c30-22-8-10-23(11-9-22)37-26-16-21(18-4-2-1-3-5-18)15-25(26)34-27(35)17-33-29(36)20-7-6-19-12-13-32-28(31)24(19)14-20/h1-14,21,25-26H,15-17,30H2,(H2,31,32)(H,33,36)(H,34,35)