N-[(2S)-4-azanyl-2-(3,4-dichlorophenyl)-4-oxidanylidene-butyl]-3-cyano-2-ethyl-naphthalene-1-carboxamide

Systemtic Name: N-[(2S)-4-azanyl-2-(3,4-dichlorophenyl)-4-oxidanylidene-butyl]-3-cyano-2-ethyl-naphthalene-1-carboxamide Openeye Name: N-[(2S)-4-amino-2-(3,4-dichlorophenyl)-4-oxo-butyl]-3-cyano-2-ethyl-naphthalene-1-carboxamide CAS Name: N-[(2S)-4-amino-2-(3,4-dichlorophenyl)-4-oxobutyl]-3-cyano-2-ethyl-1-naphthalenecarboxamide IUPAC Name: N-[(2S)-4-amino-2-(3,4-dichlorophenyl)-4-oxobutyl]-3-cyano-2-ethylnaphthalene-1-carboxamide Traditional Name: N-[(2S)-4-amino-2-(3,4-dichlorophenyl)-4-keto-butyl]-3-cyano-2-ethyl-1-naphthamide Formula: C24H21Cl2N3O2 MolecularWeight: 454.34844

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2C=C1C#N)C(=O)NCC(CC(=O)N)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCC1=C(C2=CC=CC=C2C=C1C#N)C(=O)NC[C@@H](CC(=O)N)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C24H21Cl2N3O2/c1-2-18-16(12-27)9-15-5-3-4-6-19(15)23(18)24(31)29-13-17(11-22(28)30)14-7-8-20(25)21(26)10-14/h3-10,17H,2,11,13H2,1H3,(H2,28,30)(H,29,31)/t17-/m1/s1