2-[(3-cyanophenyl)carbamoyl-propan-2-yl-amino]-N-[(1-methylpyrrol-2-yl)methyl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[(3-cyanophenyl)carbamoyl-propan-2-yl-amino]-N-[(1-methylpyrrol-2-yl)methyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[(3-cyanophenyl)carbamoyl-isopropyl-amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide CAS Name: 2-[[(3-cyanoanilino)-oxomethyl]-propan-2-ylamino]-N-[(1-methyl-2-pyrrolyl)methyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(3-cyanophenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide Traditional Name: N-benzyl-2-[(3-cyanophenyl)carbamoyl-isopropyl-amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide Formula: C26H29N5O2 MolecularWeight: 443.54076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC(=O)N(CC1=CC=CC=C1)CC2=CC=CN2C)C(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C)N(CC(=O)N(CC1=CC=CC=C1)CC2=CC=CN2C)C(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C26H29N5O2/c1-20(2)31(26(33)28-23-12-7-11-22(15-23)16-27)19-25(32)30(17-21-9-5-4-6-10-21)18-24-13-8-14-29(24)3/h4-15,20H,17-19H2,1-3H3,(H,28,33)