1-[4-(2-azanyl-4-piperazin-1-ylcarbonyl-phenyl)piperazin-1-yl]-3,3-dimethyl-butan-1-one

Systemtic Name: 1-[4-(2-azanyl-4-piperazin-1-ylcarbonyl-phenyl)piperazin-1-yl]-3,3-dimethyl-butan-1-one Openeye Name: 1-[4-[2-amino-4-(piperazine-1-carbonyl)phenyl]piperazin-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 1-[4-[2-amino-4-[oxo(1-piperazinyl)methyl]phenyl]-1-piperazinyl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[4-[2-amino-4-(piperazine-1-carbonyl)phenyl]piperazin-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[4-[2-amino-4-(piperazine-1-carbonyl)phenyl]piperazino]-3,3-dimethyl-butan-1-one Formula: C21H33N5O2 MolecularWeight: 387.51902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCNCC3)N

Isomeric SMILES

CC(C)(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCNCC3)N

InChI

InChI=1S/C21H33N5O2/c1-21(2,3)15-19(27)25-12-10-24(11-13-25)18-5-4-16(14-17(18)22)20(28)26-8-6-23-7-9-26/h4-5,14,23H,6-13,15,22H2,1-3H3