1-azanyl-2-(4-methylpiperazin-1-yl)-4-[(phenylmethyl)amino]anthracene-9,10-dione

Systemtic Name: 1-azanyl-2-(4-methylpiperazin-1-yl)-4-[(phenylmethyl)amino]anthracene-9,10-dione Openeye Name: 1-amino-4-(benzylamino)-2-(4-methylpiperazin-1-yl)anthracene-9,10-dione CAS Name: 1-amino-2-(4-methyl-1-piperazinyl)-4-[(phenylmethyl)amino]anthracene-9,10-dione IUPAC Name: 1-amino-4-(benzylamino)-2-(4-methylpiperazin-1-yl)anthracene-9,10-dione Traditional Name: 1-amino-4-(benzylamino)-2-(4-methylpiperazino)-9,10-anthraquinone Formula: C26H26N4O2 MolecularWeight: 426.51024

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=C3C(=C2N)C(=O)C4=CC=CC=C4C3=O)NCC5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)C2=CC(=C3C(=C2N)C(=O)C4=CC=CC=C4C3=O)NCC5=CC=CC=C5

InChI

InChI=1S/C26H26N4O2/c1-29-11-13-30(14-12-29)21-15-20(28-16-17-7-3-2-4-8-17)22-23(24(21)27)26(32)19-10-6-5-9-18(19)25(22)31/h2-10,15,28H,11-14,16,27H2,1H3