N-[N'-(3-cyanopropyl)carbamimidoyl]-2-(2-cyclohexyl-5-phenyl-pyrrol-1-yl)ethanamide

Systemtic Name: N-[N'-(3-cyanopropyl)carbamimidoyl]-2-(2-cyclohexyl-5-phenyl-pyrrol-1-yl)ethanamide Openeye Name: N-[N'-(3-cyanopropyl)carbamimidoyl]-2-(2-cyclohexyl-5-phenyl-pyrrol-1-yl)acetamide CAS Name: N-[amino(3-cyanopropylimino)methyl]-2-(2-cyclohexyl-5-phenyl-1-pyrrolyl)acetamide IUPAC Name: N-[N'-(3-cyanopropyl)carbamimidoyl]-2-(2-cyclohexyl-5-phenylpyrrol-1-yl)acetamide Traditional Name: N-[N'-(3-cyanopropyl)amidino]-2-(2-cyclohexyl-5-phenyl-pyrrol-1-yl)acetamide Formula: C23H29N5O MolecularWeight: 391.50926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(N2CC(=O)NC(=NCCCC#N)N)C3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)C2=CC=C(N2CC(=O)NC(=NCCCC#N)N)C3=CC=CC=C3

InChI

InChI=1S/C23H29N5O/c24-15-7-8-16-26-23(25)27-22(29)17-28-20(18-9-3-1-4-10-18)13-14-21(28)19-11-5-2-6-12-19/h1,3-4,9-10,13-14,19H,2,5-8,11-12,16-17H2,(H3,25,26,27,29)