[4-(2-azanyl-4-piperazin-1-ylcarbonyl-phenyl)-1,4-diazepan-1-yl]-(4-tert-butylphenyl)methanone

Systemtic Name: [4-(2-azanyl-4-piperazin-1-ylcarbonyl-phenyl)-1,4-diazepan-1-yl]-(4-tert-butylphenyl)methanone Openeye Name: [4-[2-amino-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepan-1-yl]-(4-tert-butylphenyl)methanone CAS Name: [4-[2-amino-4-[oxo(1-piperazinyl)methyl]phenyl]-1,4-diazepan-1-yl]-(4-tert-butylphenyl)methanone IUPAC Name: [4-[2-amino-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepan-1-yl]-(4-tert-butylphenyl)methanone Traditional Name: [4-[2-amino-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepan-1-yl]-(4-tert-butylphenyl)methanone Formula: C27H37N5O2 MolecularWeight: 463.61498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)N

InChI

InChI=1S/C27H37N5O2/c1-27(2,3)22-8-5-20(6-9-22)25(33)31-14-4-13-30(17-18-31)24-10-7-21(19-23(24)28)26(34)32-15-11-29-12-16-32/h5-10,19,29H,4,11-18,28H2,1-3H3