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

Systemtic Name: N-[1-[2-[(1-azanylisoquinolin-6-yl)methylamino]-2-oxidanylidene-ethyl]-2-oxidanylidene-azepan-3-yl]-4-phenyl-benzamide Openeye Name: N-[1-[2-[(1-amino-6-isoquinolyl)methylamino]-2-oxo-ethyl]-2-oxo-azepan-3-yl]-4-phenyl-benzamide CAS Name: N-[1-[2-[(1-amino-6-isoquinolinyl)methylamino]-2-oxoethyl]-2-oxo-3-azepanyl]-4-phenylbenzamide IUPAC Name: N-[1-[2-[(1-aminoisoquinolin-6-yl)methylamino]-2-oxoethyl]-2-oxoazepan-3-yl]-4-phenylbenzamide Traditional Name: N-[1-[2-[(1-amino-6-isoquinolyl)methylamino]-2-keto-ethyl]-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)NCC4=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)NCC4=CC5=C(C=C4)C(=NC=C5)N

InChI

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