[3-azanyl-4-[4-(1,3-benzodioxol-5-ylcarbonyl)-1,4-diazepan-1-yl]phenyl]-piperazin-1-yl-methanone

Systemtic Name: [3-azanyl-4-[4-(1,3-benzodioxol-5-ylcarbonyl)-1,4-diazepan-1-yl]phenyl]-piperazin-1-yl-methanone Openeye Name: [3-amino-4-[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]phenyl]-piperazin-1-yl-methanone CAS Name: [3-amino-4-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1,4-diazepan-1-yl]phenyl]-(1-piperazinyl)methanone IUPAC Name: [3-amino-4-[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]phenyl]-piperazin-1-ylmethanone Traditional Name: [3-amino-4-(4-piperonyloyl-1,4-diazepan-1-yl)phenyl]-piperazino-methanone Formula: C24H29N5O4 MolecularWeight: 451.51816

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4)C(=O)N5CCNCC5)N

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4)C(=O)N5CCNCC5)N

InChI

InChI=1S/C24H29N5O4/c25-19-14-17(23(30)29-10-6-26-7-11-29)2-4-20(19)27-8-1-9-28(13-12-27)24(31)18-3-5-21-22(15-18)33-16-32-21/h2-5,14-15,26H,1,6-13,16,25H2