N-(3-methylbutyl)-N-[2-oxidanylidene-2-[[1-(phenylmethyl)pyrrol-2-yl]methyl-propan-2-yl-amino]ethyl]-3-phenyl-prop-2-enamide

Systemtic Name: N-(3-methylbutyl)-N-[2-oxidanylidene-2-[[1-(phenylmethyl)pyrrol-2-yl]methyl-propan-2-yl-amino]ethyl]-3-phenyl-prop-2-enamide Openeye Name: N-[2-[(1-benzylpyrrol-2-yl)methyl-isopropyl-amino]-2-oxo-ethyl]-N-isopentyl-3-phenyl-prop-2-enamide CAS Name: N-(3-methylbutyl)-N-[2-oxo-2-[[1-(phenylmethyl)-2-pyrrolyl]methyl-propan-2-ylamino]ethyl]-3-phenyl-2-propenamide IUPAC Name: N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-(3-methylbutyl)-3-phenylprop-2-enamide Traditional Name: N-[2-[(1-benzylpyrrol-2-yl)methyl-isopropyl-amino]-2-keto-ethyl]-N-isoamyl-3-phenyl-acrylamide Formula: C31H39N3O2 MolecularWeight: 485.66026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC(=O)N(CC1=CC=CN1CC2=CC=CC=C2)C(C)C)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC(C)CCN(CC(=O)N(CC1=CC=CN1CC2=CC=CC=C2)C(C)C)C(=O)C=CC3=CC=CC=C3

InChI

InChI=1S/C31H39N3O2/c1-25(2)19-21-33(30(35)18-17-27-12-7-5-8-13-27)24-31(36)34(26(3)4)23-29-16-11-20-32(29)22-28-14-9-6-10-15-28/h5-18,20,25-26H,19,21-24H2,1-4H3