4-[2-[(3-chlorophenyl)carbonylamino]-4-(isoquinolin-5-ylcarbamoyl)phenyl]-N-ethyl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[2-[(3-chlorophenyl)carbonylamino]-4-(isoquinolin-5-ylcarbamoyl)phenyl]-N-ethyl-1,4-diazepane-1-carboxamide Openeye Name: 4-[2-[(3-chlorobenzoyl)amino]-4-(5-isoquinolylcarbamoyl)phenyl]-N-ethyl-1,4-diazepane-1-carboxamide CAS Name: 4-[2-[[(3-chlorophenyl)-oxomethyl]amino]-4-[(5-isoquinolinylamino)-oxomethyl]phenyl]-N-ethyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-[2-[(3-chlorobenzoyl)amino]-4-(isoquinolin-5-ylcarbamoyl)phenyl]-N-ethyl-1,4-diazepane-1-carboxamide Traditional Name: 4-[2-[(3-chlorobenzoyl)amino]-4-(5-isoquinolylcarbamoyl)phenyl]-N-ethyl-1,4-diazepane-1-carboxamide Formula: C31H31ClN6O3 MolecularWeight: 571.06924

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC4=C3C=CN=C4)NC(=O)C5=CC(=CC=C5)Cl

Isomeric SMILES

CCNC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC4=C3C=CN=C4)NC(=O)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C31H31ClN6O3/c1-2-34-31(41)38-15-5-14-37(16-17-38)28-11-10-22(19-27(28)36-29(39)21-6-3-8-24(32)18-21)30(40)35-26-9-4-7-23-20-33-13-12-25(23)26/h3-4,6-13,18-20H,2,5,14-17H2,1H3,(H,34,41)(H,35,40)(H,36,39)