N-[6-[4-(furan-3-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]-2-methyl-benzamide

Systemtic Name: N-[6-[4-(furan-3-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]-2-methyl-benzamide Openeye Name: N-[6-[4-(3-furylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]-2-methyl-benzamide CAS Name: N-[6-[4-(3-furanylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-methylbenzamide IUPAC Name: N-[6-[4-(furan-3-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]-2-methylbenzamide Traditional Name: N-[6-[4-(3-furfuryl)-1,4-diazepan-1-yl]-3-pyridyl]-2-methyl-benzamide Formula: C23H26N4O2 MolecularWeight: 390.47814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)CC4=COC=C4

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)CC4=COC=C4

InChI

InChI=1S/C23H26N4O2/c1-18-5-2-3-6-21(18)23(28)25-20-7-8-22(24-15-20)27-11-4-10-26(12-13-27)16-19-9-14-29-17-19/h2-3,5-9,14-15,17H,4,10-13,16H2,1H3,(H,25,28)