3-[bis(aziridin-1-yl)phosphoryloxy]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

Systemtic Name: 3-[bis(aziridin-1-yl)phosphoryloxy]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one Openeye Name: 3-[bis(aziridin-1-yl)phosphoryloxy]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one CAS Name: 3-[bis(1-aziridinyl)phosphoryloxy]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one IUPAC Name: 3-[bis(aziridin-1-yl)phosphoryloxy]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one Traditional Name: 3-diethyleniminophosphoryloxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one Formula: C22H29N2O3P MolecularWeight: 400.451021

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OP(=O)(N5CC5)N6CC6

Isomeric SMILES

CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OP(=O)(N5CC5)N6CC6

InChI

InChI=1S/C22H29N2O3P/c1-22-9-8-18-17-5-3-16(27-28(26,23-10-11-23)24-12-13-24)14-15(17)2-4-19(18)20(22)6-7-21(22)25/h3,5,14,18-20H,2,4,6-13H2,1H3