1-chloranyl-2-[4-(phenylmethyl)piperidin-1-yl]carbonyl-anthracene-9,10-dione

Systemtic Name: 1-chloranyl-2-[4-(phenylmethyl)piperidin-1-yl]carbonyl-anthracene-9,10-dione Openeye Name: 2-(4-benzylpiperidine-1-carbonyl)-1-chloro-anthracene-9,10-dione CAS Name: 1-chloro-2-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]anthracene-9,10-dione IUPAC Name: 2-(4-benzylpiperidine-1-carbonyl)-1-chloroanthracene-9,10-dione Traditional Name: 2-(4-benzylpiperidine-1-carbonyl)-1-chloro-9,10-anthraquinone Formula: C27H22ClNO3 MolecularWeight: 443.92148

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)Cl

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)Cl

InChI

InChI=1S/C27H22ClNO3/c28-24-22(11-10-21-23(24)26(31)20-9-5-4-8-19(20)25(21)30)27(32)29-14-12-18(13-15-29)16-17-6-2-1-3-7-17/h1-11,18H,12-16H2