3-methyl-N-[4-[9-[4-(3-methylbutanoylamino)phenyl]-10-oxidanylidene-anthracen-9-yl]phenyl]butanamide

Systemtic Name: 3-methyl-N-[4-[9-[4-(3-methylbutanoylamino)phenyl]-10-oxidanylidene-anthracen-9-yl]phenyl]butanamide Openeye Name: 3-methyl-N-[4-[9-[4-(3-methylbutanoylamino)phenyl]-10-oxo-9-anthryl]phenyl]butanamide CAS Name: 3-methyl-N-[4-[9-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-10-oxo-9-anthracenyl]phenyl]butanamide IUPAC Name: 3-methyl-N-[4-[9-[4-(3-methylbutanoylamino)phenyl]-10-oxoanthracen-9-yl]phenyl]butanamide Traditional Name: N-[4-[9-[4-(isovalerylamino)phenyl]-10-keto-9-anthryl]phenyl]-3-methyl-butyramide Formula: C36H36N2O3 MolecularWeight: 544.68264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)C4=CC=CC=C42)C5=CC=C(C=C5)NC(=O)CC(C)C

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)C4=CC=CC=C42)C5=CC=C(C=C5)NC(=O)CC(C)C

InChI

InChI=1S/C36H36N2O3/c1-23(2)21-33(39)37-27-17-13-25(14-18-27)36(26-15-19-28(20-16-26)38-34(40)22-24(3)4)31-11-7-5-9-29(31)35(41)30-10-6-8-12-32(30)36/h5-20,23-24H,21-22H2,1-4H3,(H,37,39)(H,38,40)