N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-(2-oxidanylidenechromen-3-yl)benzamide

Systemtic Name: N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-(2-oxidanylidenechromen-3-yl)benzamide Openeye Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-(2-oxochromen-3-yl)benzamide CAS Name: N-[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-3-(2-oxo-1-benzopyran-3-yl)benzamide IUPAC Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-(2-oxochromen-3-yl)benzamide Traditional Name: N-[3-chloro-4-(4-isovalerylpiperazino)phenyl]-3-(2-ketochromen-3-yl)benzamide Formula: C31H30ClN3O4 MolecularWeight: 544.0406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=CC(=C3)C4=CC5=CC=CC=C5OC4=O)Cl

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=CC(=C3)C4=CC5=CC=CC=C5OC4=O)Cl

InChI

InChI=1S/C31H30ClN3O4/c1-20(2)16-29(36)35-14-12-34(13-15-35)27-11-10-24(19-26(27)32)33-30(37)23-8-5-7-21(17-23)25-18-22-6-3-4-9-28(22)39-31(25)38/h3-11,17-20H,12-16H2,1-2H3,(H,33,37)