N-[4-(cyclopropylamino)-3-oxidanylidene-1-phenyl-butan-2-yl]-3-(cyclopropylmethoxy)-5-(2-isocyanophenyl)benzamide

Systemtic Name: N-[4-(cyclopropylamino)-3-oxidanylidene-1-phenyl-butan-2-yl]-3-(cyclopropylmethoxy)-5-(2-isocyanophenyl)benzamide Openeye Name: N-[1-benzyl-3-(cyclopropylamino)-2-oxo-propyl]-3-(cyclopropylmethoxy)-5-(2-isocyanophenyl)benzamide CAS Name: N-[4-(cyclopropylamino)-3-oxo-1-phenylbutan-2-yl]-3-(cyclopropylmethoxy)-5-(2-isocyanophenyl)benzamide IUPAC Name: N-[4-(cyclopropylamino)-3-oxo-1-phenylbutan-2-yl]-3-(cyclopropylmethoxy)-5-(2-isocyanophenyl)benzamide Traditional Name: N-[1-benzyl-3-(cyclopropylamino)-2-keto-propyl]-3-(cyclopropylmethoxy)-5-(2-isocyanophenyl)benzamide Formula: C31H31N3O3 MolecularWeight: 493.59614

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC=CC=C1C2=CC(=CC(=C2)OCC3CC3)C(=O)NC(CC4=CC=CC=C4)C(=O)CNC5CC5

Isomeric SMILES

[C-]#[N+]C1=CC=CC=C1C2=CC(=CC(=C2)OCC3CC3)C(=O)NC(CC4=CC=CC=C4)C(=O)CNC5CC5

InChI

InChI=1S/C31H31N3O3/c1-32-28-10-6-5-9-27(28)23-16-24(18-26(17-23)37-20-22-11-12-22)31(36)34-29(15-21-7-3-2-4-8-21)30(35)19-33-25-13-14-25/h2-10,16-18,22,25,29,33H,11-15,19-20H2,(H,34,36)