N-[2-[(1-methylpyrrol-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-3-(4-nitrophenyl)-N-propan-2-yl-prop-2-enamide

Systemtic Name: N-[2-[(1-methylpyrrol-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-3-(4-nitrophenyl)-N-propan-2-yl-prop-2-enamide Openeye Name: N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxo-ethyl]-N-isopropyl-3-(4-nitrophenyl)prop-2-enamide CAS Name: N-[2-[(1-methyl-2-pyrrolyl)methyl-(phenylmethyl)amino]-2-oxoethyl]-3-(4-nitrophenyl)-N-propan-2-yl-2-propenamide IUPAC Name: N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-(4-nitrophenyl)-N-propan-2-ylprop-2-enamide Traditional Name: N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-keto-ethyl]-N-isopropyl-3-(4-nitrophenyl)acrylamide Formula: C27H30N4O4 MolecularWeight: 474.5515

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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)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)N(CC(=O)N(CC1=CC=CC=C1)CC2=CC=CN2C)C(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H30N4O4/c1-21(2)30(26(32)16-13-22-11-14-24(15-12-22)31(34)35)20-27(33)29(18-23-8-5-4-6-9-23)19-25-10-7-17-28(25)3/h4-17,21H,18-20H2,1-3H3