(1-ethylbenzotriazol-5-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (1-ethylbenzotriazol-5-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-(1-ethylbenzotriazol-5-yl)methanone CAS Name: (1-ethyl-5-benzotriazolyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(1-ethylbenzotriazol-5-yl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(1-ethylbenzotriazol-5-yl)methanone Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4)N=N1

InChI

InChI=1S/C21H25N5O/c1-2-26-20-10-9-18(15-19(20)22-23-26)21(27)25-12-6-11-24(13-14-25)16-17-7-4-3-5-8-17/h3-5,7-10,15H,2,6,11-14,16H2,1H3