1-methyl-4-[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]-3,4-dihydro-1H-anthracene-2,9,10-trione

Systemtic Name: 1-methyl-4-[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]-3,4-dihydro-1H-anthracene-2,9,10-trione Openeye Name: 4-[(3S)-1-benzylpyrrolidin-3-yl]-1-methyl-3,4-dihydro-1H-anthracene-2,9,10-trione CAS Name: 1-methyl-4-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]-3,4-dihydro-1H-anthracene-2,9,10-trione IUPAC Name: 4-[(3S)-1-benzylpyrrolidin-3-yl]-1-methyl-3,4-dihydro-1H-anthracene-2,9,10-trione Traditional Name: 4-[(3S)-1-benzylpyrrolidin-3-yl]-1-methyl-3,4-dihydro-1H-anthracene-2,9,10-trione Formula: C26H25NO3 MolecularWeight: 399.4816

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)CC(C2=C1C(=O)C3=CC=CC=C3C2=O)C4CCN(C4)CC5=CC=CC=C5

Isomeric SMILES

CC1C(=O)CC(C2=C1C(=O)C3=CC=CC=C3C2=O)[C@@H]4CCN(C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H25NO3/c1-16-22(28)13-21(18-11-12-27(15-18)14-17-7-3-2-4-8-17)24-23(16)25(29)19-9-5-6-10-20(19)26(24)30/h2-10,16,18,21H,11-15H2,1H3/t16?,18-,21?/m1/s1