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

Systemtic Name: 1-[4-(2-azanyl-4-piperazin-1-ylcarbonyl-phenyl)-1,4-diazepan-1-yl]-3,3-dimethyl-butan-1-one Openeye Name: 1-[4-[2-amino-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepan-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 1-[4-[2-amino-4-[oxo(1-piperazinyl)methyl]phenyl]-1,4-diazepan-1-yl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[4-[2-amino-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepan-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[4-[2-amino-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepan-1-yl]-3,3-dimethyl-butan-1-one Formula: C22H35N5O2 MolecularWeight: 401.5456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCNCC3)N

Isomeric SMILES

CC(C)(C)CC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCNCC3)N

InChI

InChI=1S/C22H35N5O2/c1-22(2,3)16-20(28)26-10-4-9-25(13-14-26)19-6-5-17(15-18(19)23)21(29)27-11-7-24-8-12-27/h5-6,15,24H,4,7-14,16,23H2,1-3H3