N-[3-[(1-azanylisoquinolin-7-yl)amino]-2-oxidanyl-3-oxidanylidene-1-phenyl-propyl]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[3-[(1-azanylisoquinolin-7-yl)amino]-2-oxidanyl-3-oxidanylidene-1-phenyl-propyl]-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[3-[(1-amino-7-isoquinolyl)amino]-2-hydroxy-3-oxo-1-phenyl-propyl]-4-pyrrolidin-1-yl-benzamide CAS Name: N-[3-[(1-amino-7-isoquinolinyl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[3-[(1-aminoisoquinolin-7-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[3-[(1-amino-7-isoquinolyl)amino]-2-hydroxy-3-keto-1-phenyl-propyl]-4-pyrrolidino-benzamide Formula: C29H29N5O3 MolecularWeight: 495.57226

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)C(=O)NC(C3=CC=CC=C3)C(C(=O)NC4=CC5=C(C=C4)C=CN=C5N)O

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)C(=O)NC(C3=CC=CC=C3)C(C(=O)NC4=CC5=C(C=C4)C=CN=C5N)O

InChI

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