N-[9,10-bis(oxidanylidene)-6-(3-piperidin-1-ylpropanoylamino)anthracen-2-yl]-3-piperidin-1-yl-propanamide; ethanoic acid

Systemtic Name: N-[9,10-bis(oxidanylidene)-6-(3-piperidin-1-ylpropanoylamino)anthracen-2-yl]-3-piperidin-1-yl-propanamide; ethanoic acid Openeye Name: acetic acid; N-[9,10-dioxo-6-[3-(1-piperidyl)propanoylamino]-2-anthryl]-3-(1-piperidyl)propanamide CAS Name: acetic acid; N-[9,10-dioxo-6-[[1-oxo-3-(1-piperidinyl)propyl]amino]-2-anthracenyl]-3-(1-piperidinyl)propanamide IUPAC Name: acetic acid; N-[9,10-dioxo-6-(3-piperidin-1-ylpropanoylamino)anthracen-2-yl]-3-piperidin-1-ylpropanamide Traditional Name: acetic acid; N-[9,10-diketo-6-(3-piperidinopropanoylamino)-2-anthryl]-3-piperidino-propionamide Formula: C32H40N4O6 MolecularWeight: 576.6832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1CCN(CC1)CCC(=O)NC2=CC3=C(C=C2)C(=O)C4=C(C3=O)C=CC(=C4)NC(=O)CCN5CCCCC5

Isomeric SMILES

CC(=O)O.C1CCN(CC1)CCC(=O)NC2=CC3=C(C=C2)C(=O)C4=C(C3=O)C=CC(=C4)NC(=O)CCN5CCCCC5

InChI

InChI=1S/C30H36N4O4.C2H4O2/c35-27(11-17-33-13-3-1-4-14-33)31-21-7-9-23-25(19-21)29(37)24-10-8-22(20-26(24)30(23)38)32-28(36)12-18-34-15-5-2-6-16-34;1-2(3)4/h7-10,19-20H,1-6,11-18H2,(H,31,35)(H,32,36);1H3,(H,3,4)