N-[1-[3-[(1-azanylisoquinolin-6-yl)amino]-2-oxidanylidene-propyl]-2-oxidanylidene-azepan-3-yl]-4-phenyl-benzamide

Systemtic Name: N-[1-[3-[(1-azanylisoquinolin-6-yl)amino]-2-oxidanylidene-propyl]-2-oxidanylidene-azepan-3-yl]-4-phenyl-benzamide Openeye Name: N-[1-[3-[(1-amino-6-isoquinolyl)amino]-2-oxo-propyl]-2-oxo-azepan-3-yl]-4-phenyl-benzamide CAS Name: N-[1-[3-[(1-amino-6-isoquinolinyl)amino]-2-oxopropyl]-2-oxo-3-azepanyl]-4-phenylbenzamide IUPAC Name: N-[1-[3-[(1-aminoisoquinolin-6-yl)amino]-2-oxopropyl]-2-oxoazepan-3-yl]-4-phenylbenzamide Traditional Name: N-[1-[3-[(1-amino-6-isoquinolyl)amino]-2-keto-propyl]-2-keto-azepan-3-yl]-4-phenyl-benzamide Formula: C31H31N5O3 MolecularWeight: 521.60954

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)CC(=O)CNC4=CC5=C(C=C4)C(=NC=C5)N

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)CC(=O)CNC4=CC5=C(C=C4)C(=NC=C5)N

InChI

InChI=1S/C31H31N5O3/c32-29-27-14-13-25(18-24(27)15-16-33-29)34-19-26(37)20-36-17-5-4-8-28(31(36)39)35-30(38)23-11-9-22(10-12-23)21-6-2-1-3-7-21/h1-3,6-7,9-16,18,28,34H,4-5,8,17,19-20H2,(H2,32,33)(H,35,38)