3-methyl-1,2-dihydrobenzo[j]aceanthrylene; 1-phenylpyrazolidin-3-one

Systemtic Name: 3-methyl-1,2-dihydrobenzo[j]aceanthrylene; 1-phenylpyrazolidin-3-one Openeye Name: 3-methyl-1,2-dihydrobenzo[j]aceanthrylene; 1-phenylpyrazolidin-3-one CAS Name: 3-methyl-1,2-dihydrobenzo[j]aceanthrylene; 1-phenyl-3-pyrazolidinone IUPAC Name: 3-methyl-1,2-dihydrobenzo[j]aceanthrylene; 1-phenylpyrazolidin-3-one Traditional Name: 3-methylcholanthrene; 1-phenylpyrazolidin-3-one Formula: C30H26N2O MolecularWeight: 430.54024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1.C1CN(NC1=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C2CCC3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1.C1CN(NC1=O)C2=CC=CC=C2

InChI

InChI=1S/C21H16.C9H10N2O/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19;12-9-6-7-11(10-9)8-4-2-1-3-5-8/h2-9,12H,10-11H2,1H3;1-5H,6-7H2,(H,10,12)