3,3-dimethyl-N-[2-[4-(2-phenylethanoyl)-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]butanamide

Systemtic Name: 3,3-dimethyl-N-[2-[4-(2-phenylethanoyl)-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]butanamide Openeye Name: 3,3-dimethyl-N-[2-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]butanamide CAS Name: 3,3-dimethyl-N-[2-[4-(1-oxo-2-phenylethyl)-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]butanamide IUPAC Name: 3,3-dimethyl-N-[2-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]butanamide Traditional Name: 3,3-dimethyl-N-[2-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]butyramide Formula: C30H41N5O3 MolecularWeight: 519.67824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=C(C=CC(=C1)C(=O)N2CCNCC2)N3CCCN(CC3)C(=O)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)CC(=O)NC1=C(C=CC(=C1)C(=O)N2CCNCC2)N3CCCN(CC3)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C30H41N5O3/c1-30(2,3)22-27(36)32-25-21-24(29(38)35-16-12-31-13-17-35)10-11-26(25)33-14-7-15-34(19-18-33)28(37)20-23-8-5-4-6-9-23/h4-6,8-11,21,31H,7,12-20,22H2,1-3H3,(H,32,36)