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

Systemtic Name: N-[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-(2-oxidanylidenechromen-3-yl)benzamide Openeye Name: N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-(2-oxochromen-3-yl)benzamide CAS Name: N-[3-chloro-4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-3-(2-oxo-1-benzopyran-3-yl)benzamide IUPAC Name: N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-(2-oxochromen-3-yl)benzamide Traditional Name: N-[3-chloro-4-(4-isobutyrylpiperazino)phenyl]-3-(2-ketochromen-3-yl)benzamide Formula: C30H28ClN3O4 MolecularWeight: 530.01402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=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)C(=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/C30H28ClN3O4/c1-19(2)29(36)34-14-12-33(13-15-34)26-11-10-23(18-25(26)31)32-28(35)22-8-5-7-20(16-22)24-17-21-6-3-4-9-27(21)38-30(24)37/h3-11,16-19H,12-15H2,1-2H3,(H,32,35)